| SpectraBase Compound ID | 5JNakbefylW |
|---|---|
| InChI | InChI=1S/C9H16O/c1-8(10)6-5-7-9(2,3)4/h5-6H,7H2,1-4H3/b6-5+ |
| InChIKey | ODIWAYIMVVHHLK-AATRIKPKSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pBB7yMVlPM |
|---|---|
| Name | (E)-6,6-Dimethyl-3-hepten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-8(10)6-5-7-9(2,3)4/h5-6H,7H2,1-4H3/b6-5+ |
| InChIKey | ODIWAYIMVVHHLK-AATRIKPKSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(C(C)(C)C)\C=C\C(C)=O |